(2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide

C14H22N4O4 — CID 124679947

IUPAC(2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C)C[C@H]1C(=O)NCc1cc(C)on1
InChIInChI=1S/C14H22N4O4/c1-10-6-11(16-22-10)7-15-14(20)12-8-17(2)4-5-18(12)13(19)9-21-3/h6,12H,4-5,7-9H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyMTEAXVNZZUGPLH-LBPRGKRZSA-N
MW310.35 g/mol
LogP-0.61
Rot. Bonds5

About (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide

(2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide (PubChem CID 124679947) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide
PubChem CID124679947
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name(2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C)C[C@H]1C(=O)NCc1cc(C)on1
InChIInChI=1S/C14H22N4O4/c1-10-6-11(16-22-10)7-15-14(20)12-8-17(2)4-5-18(12)13(19)9-21-3/h6,12H,4-5,7-9H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyMTEAXVNZZUGPLH-LBPRGKRZSA-N
XLogP-0.61
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 94799566
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625854
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 47730082
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-carboxamide
CID 64891597
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 47729955
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 75462251
methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate
CID 115280103
3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783675
(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide
CID 97004854

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide (CID 124679947) is (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide is COCC(=O)N1CCN(C)C[C@H]1C(=O)NCc1cc(C)on1.
What is the InChIKey of (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide?
The InChIKey is MTEAXVNZZUGPLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-10-6-11(16-22-10)7-15-14(20)12-8-17(2)4-5-18(12)13(19)9-21-3/h6,12H,4-5,7-9H2,1-3H3,(H,15,20)/t12-/m0/s1.
What are the key properties of (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide?
(2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyacetyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 124679947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).